#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2e7k n SER 2 N 0.00 1.00 -4.54 1.61 3.41 -1.26 -4.90 113.62 108.93 2e7k n SER 2 Ca 0.00 -1.00 -0.42 0.00 -0.26 0.00 0.00 58.87 57.20 2e7k n SER 2 Cb 0.00 0.72 -0.03 0.00 -0.26 0.00 0.00 64.21 64.64 2e7k n SER 2 CO 0.00 0.00 0.00 -0.94 -0.16 0.00 0.00 175.04 173.94 2e7k s SER 3 N -1.82 6.25 -0.23 4.04 1.04 -1.26 -4.93 113.70 116.79 2e7k s SER 3 Ca 0.08 -0.38 -0.07 0.00 0.48 0.00 0.00 55.95 56.06 2e7k s SER 3 Cb 0.09 -2.53 -0.03 0.00 0.10 0.00 0.00 66.02 63.66 2e7k s SER 3 CO 0.39 -1.65 0.05 -0.83 0.98 0.00 0.00 173.24 172.18 2e7k s GLY 4 N 3.47 1.77 0.03 7.32 0.00 -1.26 -4.99 107.32 113.67 2e7k s GLY 4 Ca 0.35 -1.04 -0.19 0.00 0.00 0.00 0.00 44.72 43.84 2e7k s GLY 4 CO 0.17 0.39 1.21 1.76 0.00 0.00 0.00 173.10 176.63 2e7k h SER 5 N 7.83 0.56 -3.56 1.64 0.02 -2.02 -3.43 113.55 114.59 2e7k h SER 5 Ca -0.37 -0.65 -0.62 0.00 -0.84 0.00 0.00 61.79 59.30 2e7k h SER 5 Cb 1.18 -0.17 -0.13 0.00 0.14 0.00 0.00 62.40 63.42 2e7k h SER 5 CO 0.60 1.12 0.06 -0.94 -1.14 0.00 0.00 176.83 176.54 2e7k s SER 6 N -6.61 6.44 0.00 3.07 1.04 -1.26 -4.90 113.70 111.48 2e7k s SER 6 Ca -0.13 0.37 0.00 0.00 0.48 0.00 0.00 55.95 56.67 2e7k s SER 6 Cb 0.05 -2.30 0.00 0.00 0.10 0.00 0.00 66.02 63.86 2e7k s SER 6 CO 0.81 -0.42 0.00 0.61 0.98 0.00 0.00 173.24 175.22 2e7k n GLY 7 N 4.49 -0.53 3.17 7.32 0.00 -1.26 -5.01 105.19 113.36 2e7k n GLY 7 Ca -0.03 -1.75 -0.10 0.00 0.00 0.00 0.00 46.02 44.14 2e7k n GLY 7 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2e7k s ARG 8 N 0.00 0.67 -0.33 1.61 0.52 0.44 -4.94 118.95 116.93 2e7k s ARG 8 Ca 0.00 -0.65 -0.01 0.00 -0.52 0.00 0.00 55.73 54.55 2e7k s ARG 8 Cb 0.00 0.28 0.11 0.00 0.52 0.00 0.00 34.95 35.85 2e7k s ARG 8 CO 0.00 -0.19 0.13 -1.64 0.02 0.00 0.00 175.30 173.62 2e7k s MET 9 N -2.56 0.73 -0.25 3.54 -1.94 -1.26 -1.41 119.30 116.15 2e7k s MET 9 Ca -0.05 -1.16 -0.13 0.00 -1.71 0.00 0.00 55.69 52.64 2e7k s MET 9 Cb -0.01 -1.90 -0.04 0.00 2.01 0.00 0.00 34.83 34.88 2e7k s MET 9 CO -0.04 -1.03 0.28 0.08 -0.01 0.00 0.00 175.02 174.30 2e7k s VAL 10 N 1.45 5.26 -0.13 -6.03 1.01 -1.07 -4.88 120.40 116.01 2e7k s VAL 10 Ca 0.11 0.39 -0.05 0.00 0.00 0.00 0.00 61.98 62.44 2e7k s VAL 10 Cb -0.19 -3.61 -0.04 0.00 0.00 0.00 0.00 36.38 32.55 2e7k s VAL 10 CO -0.21 0.25 0.04 -0.83 0.00 0.00 0.00 175.10 174.34 2e7k s GLY 11 N 1.42 1.91 -0.01 4.51 0.00 -1.26 -1.97 107.32 111.91 2e7k s GLY 11 Ca 0.12 -0.76 0.06 0.00 0.00 0.00 0.00 44.72 44.14 2e7k s GLY 11 CO 0.08 -0.27 -0.20 -0.42 0.00 0.00 0.00 173.10 172.29 2e7k s ILE 12 N -0.35 1.61 -0.68 0.90 1.09 -0.73 -4.95 121.20 118.11 2e7k s ILE 12 Ca 0.08 -0.90 -0.01 0.00 -1.10 0.00 0.00 60.65 58.73 2e7k s ILE 12 Cb -0.12 -1.34 0.43 0.00 -1.06 0.00 0.00 42.46 40.36 2e7k s ILE 12 CO 0.02 0.44 1.94 -2.11 -0.10 0.00 0.00 174.94 175.13 2e7k n ARG 13 N 2.52 2.80 -0.30 2.79 1.85 -1.26 -1.83 116.66 123.23 2e7k n ARG 13 Ca -0.15 -3.45 -0.20 0.00 -1.00 0.00 0.00 57.85 53.05 2e7k n ARG 13 Cb 0.53 -2.28 0.18 0.00 -1.05 0.00 0.00 32.46 29.84 2e7k n ARG 13 CO 0.00 0.00 0.00 0.36 -0.01 0.00 0.00 177.63 177.98 2e7k n LYS 14 N -0.80 -3.44 -4.42 2.89 2.85 -1.26 -4.92 118.16 109.07 2e7k n LYS 14 Ca 0.59 -1.00 -0.21 0.00 -1.05 0.00 0.00 58.31 56.64 2e7k n LYS 14 Cb 0.58 -1.17 -0.14 0.00 -0.65 0.00 0.00 35.03 33.65 2e7k n LYS 14 CO 0.00 0.00 0.00 0.99 -0.05 0.00 0.00 177.40 178.34 2e7k s THR 15 N -1.88 1.12 -0.78 0.58 2.01 -1.26 -4.04 115.64 111.39 2e7k s THR 15 Ca 0.44 -0.92 -0.33 0.00 0.31 0.00 0.00 61.69 61.19 2e7k s THR 15 Cb -0.07 -1.00 -0.18 0.00 0.01 0.00 0.00 72.50 71.26 2e7k s THR 15 CO 0.36 0.07 2.51 0.00 -0.69 0.00 0.00 174.62 176.87 2e7k n ALA 16 N 2.07 0.42 0.00 7.40 0.00 -1.26 -1.87 120.51 127.26 2e7k n ALA 16 Ca -0.17 -0.27 0.00 0.00 0.00 0.00 0.00 53.44 53.00 2e7k n ALA 16 Cb 0.55 -2.39 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2e7k n ALA 16 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2e7k n GLY 17 N 6.62 1.59 2.89 0.00 0.00 -1.12 -5.06 105.19 110.11 2e7k n GLY 17 Ca 0.58 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 46.30 2e7k n GLY 17 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2e7k s GLU 18 N -0.12 1.34 0.32 1.61 0.41 -0.78 -5.11 118.70 116.37 2e7k s GLU 18 Ca 0.00 -1.01 -0.27 0.00 -0.41 0.00 0.00 54.97 53.28 2e7k s GLU 18 Cb 0.00 -2.50 -0.09 0.00 -1.78 0.00 0.00 34.13 29.76 2e7k s GLU 18 CO 0.00 -0.69 1.04 -1.58 -0.49 0.00 0.00 175.26 173.54 2e7k s HIS 19 N 1.44 3.53 -0.04 1.61 2.46 -1.26 -4.57 115.29 118.47 2e7k s HIS 19 Ca -0.01 1.72 -0.23 0.00 0.47 0.00 0.00 55.06 57.01 2e7k s HIS 19 Cb -0.18 -3.15 -0.17 0.00 -0.13 0.00 0.00 32.58 28.94 2e7k s HIS 19 CO -0.09 -0.37 0.99 -0.07 -2.47 0.00 0.00 174.74 172.73 2e7k h LEU 20 N 3.32 -0.17 -0.65 8.88 -0.00 -1.95 -3.42 115.31 121.34 2e7k h LEU 20 Ca -0.47 -0.38 0.00 0.00 -0.00 0.00 0.00 57.88 57.03 2e7k h LEU 20 Cb 1.21 0.04 0.00 0.00 -0.00 0.00 0.00 40.66 41.91 2e7k h LEU 20 CO 0.65 0.37 0.00 0.61 -0.00 0.00 0.00 178.44 180.07 2e7k n GLY 21 N 0.45 0.89 3.28 0.83 0.00 -1.26 -2.80 105.19 106.57 2e7k n GLY 21 Ca -0.08 -0.70 -0.13 0.00 0.00 0.00 0.00 46.02 45.10 2e7k n GLY 21 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2e7k s VAL 22 N -2.22 0.05 -0.20 1.61 -7.23 -1.26 -0.92 120.40 110.24 2e7k s VAL 22 Ca 0.00 -0.45 -0.02 0.00 -1.81 0.00 0.00 61.98 59.70 2e7k s VAL 22 Cb 0.00 -0.74 -0.00 0.00 0.56 0.00 0.00 36.38 36.19 2e7k s VAL 22 CO 0.00 -0.25 -0.09 0.42 -0.31 0.00 0.00 175.10 174.87 2e7k s THR 23 N -1.63 3.01 -0.11 5.32 -4.23 -0.03 -4.93 115.64 113.04 2e7k s THR 23 Ca -0.11 -0.63 -0.06 0.00 -1.18 0.00 0.00 61.69 59.71 2e7k s THR 23 Cb -0.03 -2.33 -0.04 0.00 1.34 0.00 0.00 72.50 71.43 2e7k s THR 23 CO 0.03 0.47 0.12 -0.36 -0.54 0.00 0.00 174.62 174.34 2e7k s PHE 24 N 1.27 3.53 0.09 3.99 0.08 -1.26 0.14 117.98 125.81 2e7k s PHE 24 Ca 0.03 0.47 0.09 0.00 0.12 0.00 0.00 56.93 57.64 2e7k s PHE 24 Cb -0.14 -1.91 -0.04 0.00 -0.57 0.00 0.00 43.02 40.36 2e7k s PHE 24 CO -0.04 0.70 -0.21 -0.98 -0.10 0.00 0.00 175.22 174.59 2e7k s ARG 25 N -1.05 1.80 -0.51 0.44 1.70 0.51 -4.66 118.95 117.18 2e7k s ARG 25 Ca 0.15 -1.14 -0.16 0.00 -0.47 0.00 0.00 55.73 54.11 2e7k s ARG 25 Cb -0.12 -2.08 0.10 0.00 -0.57 0.00 0.00 34.95 32.27 2e7k s ARG 25 CO 0.04 0.50 0.48 0.08 -1.08 0.00 0.00 175.30 175.32 2e7k s VAL 26 N -1.02 5.16 -0.12 4.99 1.01 -1.26 -1.87 120.40 127.30 2e7k s VAL 26 Ca 0.15 -1.18 0.01 0.00 0.00 0.00 0.00 61.98 60.97 2e7k s VAL 26 Cb -0.10 -4.25 0.02 0.00 0.00 0.00 0.00 36.38 32.04 2e7k s VAL 26 CO 0.07 -0.76 -0.15 -1.83 0.00 0.00 0.00 175.10 172.43 2e7k s GLU 27 N 1.79 2.23 0.00 2.72 -1.05 -1.17 -4.79 118.70 118.43 2e7k s GLU 27 Ca 0.05 -0.56 0.00 0.00 -0.15 0.00 0.00 54.97 54.31 2e7k s GLU 27 Cb -0.26 -1.93 0.00 0.00 -0.44 0.00 0.00 34.13 31.50 2e7k s GLU 27 CO 0.06 -0.10 0.00 0.41 0.95 0.00 0.00 175.26 176.58 2e7k n GLY 28 N 4.32 1.09 0.00 -3.83 0.00 -1.26 -3.37 105.19 102.15 2e7k n GLY 28 Ca -0.18 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.84 2e7k n GLY 28 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7k n GLY 29 N 0.00 0.00 3.49 -0.02 0.00 -1.26 -5.17 105.19 102.23 2e7k n GLY 29 Ca 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 46.02 45.93 2e7k n GLY 29 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 2e7k s GLU 30 N 0.00 1.41 -0.37 1.61 1.03 -1.22 -5.05 118.70 116.11 2e7k s GLU 30 Ca 0.00 -1.22 -0.14 0.00 0.03 0.00 0.00 54.97 53.64 2e7k s GLU 30 Cb 0.00 0.44 -0.00 0.00 -0.80 0.00 0.00 34.13 33.77 2e7k s GLU 30 CO 0.00 -0.56 0.28 -0.51 -1.33 0.00 0.00 175.26 173.14 2e7k s LEU 31 N -3.00 4.71 -0.06 1.83 1.43 -1.26 -3.07 118.68 119.27 2e7k s LEU 31 Ca 0.21 -0.56 0.05 0.00 -1.03 0.00 0.00 54.13 52.79 2e7k s LEU 31 Cb 0.01 -2.18 -0.01 0.00 0.03 0.00 0.00 46.19 44.05 2e7k s LEU 31 CO 0.06 -0.33 -0.22 -0.69 0.23 0.00 0.00 176.35 175.40 2e7k s VAL 32 N 1.76 1.81 -0.31 -1.59 1.01 -0.78 -2.50 120.40 119.80 2e7k s VAL 32 Ca 0.07 -0.92 -0.28 0.00 0.00 0.00 0.00 61.98 60.85 2e7k s VAL 32 Cb -0.18 -1.55 -0.03 0.00 0.00 0.00 0.00 36.38 34.62 2e7k s VAL 32 CO 0.11 0.51 1.96 -0.63 0.00 0.00 0.00 175.10 177.05 2e7k s ILE 33 N 0.03 3.30 -0.12 2.22 1.01 -1.04 -0.36 121.20 126.24 2e7k s ILE 33 Ca -0.07 0.30 -0.21 0.00 0.00 0.00 0.00 60.65 60.67 2e7k s ILE 33 Cb -0.14 -3.43 -0.19 0.00 0.01 0.00 0.00 42.46 38.71 2e7k s ILE 33 CO 0.04 -0.29 0.59 0.00 0.00 0.00 0.00 174.94 175.28 2e7k h ALA 34 N 13.96 -0.01 -2.24 9.38 0.00 -0.63 -2.27 119.26 137.45 2e7k h ALA 34 Ca -0.35 -0.36 -0.23 0.00 0.00 0.00 0.00 54.91 53.97 2e7k h ALA 34 Cb 1.19 0.00 -0.15 0.00 0.00 0.00 0.00 17.79 18.84 2e7k h ALA 34 CO 1.02 -0.02 -0.70 0.50 0.00 0.00 0.00 179.25 180.06 2e7k s ARG 35 N -2.13 0.86 -0.32 0.00 3.52 -1.07 -4.83 118.95 114.99 2e7k s ARG 35 Ca -0.14 -1.35 0.01 0.00 -0.13 0.00 0.00 55.73 54.11 2e7k s ARG 35 Cb -0.02 -0.22 0.10 0.00 -1.56 0.00 0.00 34.95 33.25 2e7k s ARG 35 CO 0.51 -0.02 0.08 0.42 -0.81 0.00 0.00 175.30 175.48 2e7k s ILE 36 N -3.62 1.31 -0.42 4.11 1.01 -1.26 -0.85 121.20 121.48 2e7k s ILE 36 Ca 0.13 -1.70 -0.43 0.00 0.00 0.00 0.00 60.65 58.65 2e7k s ILE 36 Cb 0.05 -1.99 -0.18 0.00 0.01 0.00 0.00 42.46 40.36 2e7k s ILE 36 CO -0.04 -0.65 1.82 0.18 0.00 0.00 0.00 174.94 176.25 2e7k n LEU 37 N 4.66 1.56 -4.75 2.97 4.32 -0.10 -4.84 117.00 120.81 2e7k n LEU 37 Ca -0.00 0.97 -0.41 0.00 -0.02 0.00 0.00 56.01 56.54 2e7k n LEU 37 Cb 0.42 -1.00 -0.02 0.00 -1.62 0.00 0.00 43.42 41.20 2e7k n LEU 37 CO 0.15 -0.69 1.07 -2.28 -1.22 0.00 0.00 177.39 174.41 2e7k s HIS 38 N 4.26 3.00 0.00 -1.77 2.46 -1.26 -4.15 115.29 117.83 2e7k s HIS 38 Ca 1.07 1.15 0.00 0.00 0.47 0.00 0.00 55.06 57.75 2e7k s HIS 38 Cb -1.31 -3.79 0.00 0.00 -0.13 0.00 0.00 32.58 27.35 2e7k s HIS 38 CO 0.70 -2.44 0.00 0.41 -2.47 0.00 0.00 174.74 170.95 2e7k n GLY 39 N 1.68 0.53 0.00 1.59 0.00 -1.26 -5.05 105.19 102.68 2e7k n GLY 39 Ca 0.04 -0.42 0.00 0.00 0.00 0.00 0.00 46.02 45.64 2e7k n GLY 39 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2e7k n GLY 40 N -0.86 3.32 0.11 -0.02 0.00 -1.26 -5.01 105.19 101.46 2e7k n GLY 40 Ca 0.00 -0.07 -0.20 0.00 0.00 0.00 0.00 46.02 45.75 2e7k n GLY 40 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 2e7k n MET 41 N 0.00 0.55 0.03 1.61 0.00 -1.12 -4.19 117.12 114.00 2e7k n MET 41 Ca 0.00 0.36 -0.12 0.00 -0.00 0.00 0.00 57.70 57.94 2e7k n MET 41 Cb 0.00 -1.57 -0.01 0.00 0.00 0.00 0.00 33.22 31.65 2e7k n MET 41 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2e7k h VAL 42 N -1.00 1.35 -0.75 1.12 2.07 -1.81 -0.00 116.25 117.23 2e7k h VAL 42 Ca -0.37 -2.11 0.11 0.00 0.82 0.00 0.00 66.70 65.15 2e7k h VAL 42 Cb 1.26 2.09 -0.05 0.00 -1.52 0.00 0.00 31.29 33.07 2e7k h VAL 42 CO -0.22 0.64 0.49 0.00 0.02 0.00 0.00 177.57 178.50 2e7k h ALA 43 N 0.81 1.91 0.06 1.67 0.00 -1.80 -2.89 119.26 119.02 2e7k h ALA 43 Ca -0.04 -0.00 -0.34 0.00 0.00 0.00 0.00 54.91 54.53 2e7k h ALA 43 Cb 1.36 -0.12 -0.03 0.00 0.00 0.00 0.00 17.79 19.00 2e7k h ALA 43 CO 0.14 -0.09 -1.87 1.04 0.00 0.00 0.00 179.25 178.47 2e7k n GLN 44 N -4.50 0.67 -2.82 0.00 1.13 -1.19 -4.84 117.38 105.83 2e7k n GLN 44 Ca 0.13 0.35 -0.41 0.00 -1.94 0.00 0.00 57.00 55.13 2e7k n GLN 44 Cb 0.40 -1.68 -0.04 0.00 0.11 0.00 0.00 30.24 29.03 2e7k n GLN 44 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 2e7k s GLN 45 N -2.49 4.55 -0.15 -1.09 -1.52 -0.02 -4.94 119.66 114.00 2e7k s GLN 45 Ca -0.27 1.26 -0.00 0.00 -1.95 0.00 0.00 55.36 54.39 2e7k s GLN 45 Cb 0.07 -3.43 0.11 0.00 -0.22 0.00 0.00 33.01 29.54 2e7k s GLN 45 CO 0.67 0.07 1.94 0.41 -0.25 0.00 0.00 175.29 178.13 2e7k n GLY 46 N 2.76 3.21 0.01 3.09 0.00 -1.26 -4.39 105.19 108.61 2e7k n GLY 46 Ca 0.03 -0.50 -0.00 0.00 0.00 0.00 0.00 46.02 45.54 2e7k n GLY 46 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 2e7k h LEU 47 N 2.63 0.00-10.43 0.99 3.38 -1.92 -3.48 115.31 106.48 2e7k h LEU 47 Ca 0.14 0.00 -0.42 0.00 0.09 0.00 0.00 57.88 57.69 2e7k h LEU 47 Cb 0.99 0.00 0.02 0.00 0.09 0.00 0.00 40.66 41.76 2e7k h LEU 47 CO 0.36 0.13 -0.26 -0.76 0.09 0.00 0.00 178.44 178.00 2e7k s LEU 48 N -5.19 3.64 0.10 1.67 1.43 -1.26 -5.11 118.68 113.95 2e7k s LEU 48 Ca -0.00 -0.44 -0.25 0.00 -1.03 0.00 0.00 54.13 52.40 2e7k s LEU 48 Cb 0.00 -2.62 0.08 0.00 0.03 0.00 0.00 46.19 43.68 2e7k s LEU 48 CO 0.00 -0.77 0.72 -1.38 0.23 0.00 0.00 176.35 175.16 2e7k s HIS 49 N -2.36 -0.45 -0.45 0.29 -3.43 -1.26 -4.96 115.29 102.66 2e7k s HIS 49 Ca 0.55 0.26 -0.37 0.00 -0.80 0.00 0.00 55.06 54.70 2e7k s HIS 49 Cb -0.10 0.56 -0.14 0.00 -1.43 0.00 0.00 32.58 31.47 2e7k s HIS 49 CO 0.33 -0.73 2.23 0.28 -2.00 0.00 0.00 174.74 174.85 2e7k n VAL 50 N -0.33 0.10 0.00 -5.38 0.31 -1.26 -2.87 118.33 108.90 2e7k n VAL 50 Ca -0.13 -0.19 0.00 0.00 -0.01 0.00 0.00 64.34 64.00 2e7k n VAL 50 Cb 0.64 -1.29 0.00 0.00 -0.91 0.00 0.00 33.84 32.28 2e7k n VAL 50 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2e7k n GLY 51 N 6.78 0.99 3.19 2.92 0.00 -0.85 -5.03 105.19 113.18 2e7k n GLY 51 Ca 0.47 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 46.16 2e7k n GLY 51 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2e7k s ASP 52 N -1.77 3.34 -0.16 1.61 1.11 -1.14 -4.75 116.67 114.91 2e7k s ASP 52 Ca 0.00 -0.57 -0.17 0.00 0.18 0.00 0.00 52.55 51.99 2e7k s ASP 52 Cb 0.00 -1.51 -0.04 0.00 1.07 0.00 0.00 42.92 42.44 2e7k s ASP 52 CO 0.00 0.04 0.43 -0.63 1.18 0.00 0.00 175.17 176.19 2e7k s ILE 53 N 1.04 5.20 -0.20 0.77 1.01 -1.18 -2.49 121.20 125.35 2e7k s ILE 53 Ca -0.01 0.81 -0.10 0.00 0.00 0.00 0.00 60.65 61.35 2e7k s ILE 53 Cb -0.14 -3.76 -0.05 0.00 0.01 0.00 0.00 42.46 38.51 2e7k s ILE 53 CO -0.06 0.29 0.12 -0.63 0.00 0.00 0.00 174.94 174.67 2e7k s ILE 54 N 0.94 5.26 -0.19 2.92 1.09 -1.04 -0.70 121.20 129.49 2e7k s ILE 54 Ca 0.22 0.14 -0.16 0.00 -1.10 0.00 0.00 60.65 59.74 2e7k s ILE 54 Cb -0.15 -3.41 -0.07 0.00 -1.06 0.00 0.00 42.46 37.78 2e7k s ILE 54 CO 0.08 0.43 -0.32 0.29 -0.10 0.00 0.00 174.94 175.33 2e7k n LYS 55 N 3.66 0.53 -4.00 2.79 4.76 -0.54 -4.58 118.16 120.77 2e7k n LYS 55 Ca -0.16 0.27 -0.09 0.00 -2.87 0.00 0.00 58.31 55.46 2e7k n LYS 55 Cb 0.52 -1.48 -0.08 0.00 -1.84 0.00 0.00 35.03 32.15 2e7k n LYS 55 CO 0.00 0.00 0.00 -2.00 -1.37 0.00 0.00 177.40 174.03 2e7k s GLU 56 N -2.76 0.87 -0.07 1.97 2.12 -1.26 -4.24 118.70 115.35 2e7k s GLU 56 Ca -0.29 -1.18 -0.03 0.00 0.36 0.00 0.00 54.97 53.84 2e7k s GLU 56 Cb 0.05 0.29 0.04 0.00 0.26 0.00 0.00 34.13 34.78 2e7k s GLU 56 CO 0.42 -0.26 0.12 0.08 -0.54 0.00 0.00 175.26 175.08 2e7k s VAL 57 N -3.94 -0.18 -1.35 3.70 1.01 -0.45 -1.83 120.40 117.36 2e7k s VAL 57 Ca 0.12 0.35 0.00 0.00 0.00 0.00 0.00 61.98 62.45 2e7k s VAL 57 Cb 0.06 -0.23 0.00 0.00 0.00 0.00 0.00 36.38 36.21 2e7k s VAL 57 CO -0.05 0.14 0.00 0.59 0.00 0.00 0.00 175.10 175.78 2e7k n ASN 58 N 5.10 -4.20 -0.21 3.32 3.02 -1.16 -0.47 115.26 120.66 2e7k n ASN 58 Ca -0.09 0.22 -0.01 0.00 -0.03 0.00 0.00 54.58 54.68 2e7k n ASN 58 Cb 0.50 -3.65 0.00 0.00 -0.61 0.00 0.00 39.78 36.02 2e7k n ASN 58 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2e7k n GLY 59 N -0.64 0.44 2.96 7.41 0.00 -1.26 -5.06 105.19 109.03 2e7k n GLY 59 Ca -0.16 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 44.92 2e7k n GLY 59 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2e7k s GLN 60 N -4.25 0.29 -0.05 1.61 1.11 0.37 -5.12 119.66 113.63 2e7k s GLN 60 Ca 0.01 -0.32 -0.30 0.00 0.01 0.00 0.00 55.36 54.76 2e7k s GLN 60 Cb -0.00 -0.17 -0.05 0.00 -1.01 0.00 0.00 33.01 31.78 2e7k s GLN 60 CO 0.01 0.04 1.49 -1.25 0.01 0.00 0.00 175.29 175.59 2e7k s PRO 61 N -0.61 4.22 0.32 2.91 0.04 -1.26 -1.34 135.00 139.28 2e7k s PRO 61 Ca -0.04 2.02 0.26 0.00 0.04 0.00 0.00 61.00 63.27 2e7k s PRO 61 Cb -0.04 -3.78 1.06 0.00 0.04 0.00 0.00 34.50 31.77 2e7k s PRO 61 CO -0.00 -0.72 1.77 -0.39 0.04 0.00 0.00 177.00 177.70 2e7k h VAL 62 N 5.30 0.00 -2.33 -0.36 -1.51 -1.93 -3.48 116.25 111.94 2e7k h VAL 62 Ca -0.36 -0.30 0.26 0.00 -1.23 0.00 0.00 66.70 65.07 2e7k h VAL 62 Cb 1.16 1.10 -0.09 0.00 -2.13 0.00 0.00 31.29 31.33 2e7k h VAL 62 CO 0.94 0.00 -0.57 0.61 -1.23 0.00 0.00 177.57 177.32 2e7k n GLY 63 N 0.05 -2.27 0.09 5.19 0.00 -1.26 -4.63 105.19 102.36 2e7k n GLY 63 Ca 0.02 -1.23 -0.16 0.00 0.00 0.00 0.00 46.02 44.65 2e7k n GLY 63 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2e7k h SER 64 N -0.96 0.20 -1.02 1.61 4.64 -1.97 -3.44 113.55 112.61 2e7k h SER 64 Ca -0.04 -0.87 -0.62 0.00 -0.47 0.00 0.00 61.79 59.78 2e7k h SER 64 Cb 0.94 -0.06 -0.02 0.00 -0.31 0.00 0.00 62.40 62.95 2e7k h SER 64 CO 0.03 1.06 1.49 0.47 -0.87 0.00 0.00 176.83 179.00 2e7k n ASP 65 N -4.47 1.93 -0.04 4.97 8.00 -1.26 -4.81 116.55 120.87 2e7k n ASP 65 Ca -0.11 0.26 -0.13 0.00 0.71 0.00 0.00 54.79 55.52 2e7k n ASP 65 Cb 0.56 -1.26 -0.08 0.00 -0.02 0.00 0.00 41.12 40.31 2e7k n ASP 65 CO 0.00 0.00 0.00 1.55 -0.39 0.00 0.00 177.20 178.36 2e7k h PRO 66 N 13.32 0.26 -0.51 -0.24 0.13 -1.85 -2.91 132.00 140.20 2e7k h PRO 66 Ca -0.24 -0.14 0.07 0.00 -0.87 0.00 0.00 66.00 64.82 2e7k h PRO 66 Cb 1.31 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.42 2e7k h PRO 66 CO 1.08 0.67 0.34 0.00 -0.23 0.00 0.00 178.00 179.87 2e7k h ARG 67 N -0.14 0.40 0.00 0.86 3.08 -1.88 0.04 114.38 116.75 2e7k h ARG 67 Ca 0.02 -0.02 -0.11 0.00 0.07 0.00 0.00 59.98 59.93 2e7k h ARG 67 Cb 0.62 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.57 2e7k h ARG 67 CO 0.03 0.27 -0.52 0.00 -1.07 0.00 0.00 179.97 178.67 2e7k h ALA 68 N 1.73 0.97 -0.10 0.04 0.00 -1.93 -3.20 119.26 116.76 2e7k h ALA 68 Ca 0.23 -0.47 -0.10 0.00 0.00 0.00 0.00 54.91 54.56 2e7k h ALA 68 Cb 0.36 -0.08 0.00 0.00 0.00 0.00 0.00 17.79 18.07 2e7k h ALA 68 CO -0.06 0.65 -0.33 1.25 0.00 0.00 0.00 179.25 180.76 2e7k h LEU 69 N 0.00 0.47 -1.76 0.00 5.85 -0.80 -2.70 115.31 116.37 2e7k h LEU 69 Ca -0.01 -0.61 0.00 0.00 0.84 0.00 0.00 57.88 58.11 2e7k h LEU 69 Cb 1.03 -0.14 0.00 0.00 0.37 0.00 0.00 40.66 41.92 2e7k h LEU 69 CO 0.07 1.00 0.04 1.56 -0.34 0.00 0.00 178.44 180.76 2e7k h GLN 70 N -0.03 0.00 0.00 1.25 4.20 -1.40 -0.13 115.11 119.00 2e7k h GLN 70 Ca -0.01 0.00 -0.32 0.00 0.06 0.00 0.00 58.65 58.38 2e7k h GLN 70 Cb 0.96 0.00 -0.06 0.00 0.30 0.00 0.00 27.48 28.68 2e7k h GLN 70 CO 0.07 0.00 -1.91 -1.91 -0.67 0.00 0.00 178.83 174.41 2e7k n GLU 71 N -2.45 0.65 -0.26 1.46 2.13 -1.13 -3.95 120.64 117.09 2e7k n GLU 71 Ca -0.02 0.21 -0.06 0.00 0.66 0.00 0.00 57.16 57.95 2e7k n GLU 71 Cb 0.08 -1.71 0.05 0.00 0.27 0.00 0.00 31.44 30.12 2e7k n GLU 71 CO 0.00 0.00 0.00 1.37 -0.41 0.00 0.00 177.13 178.09 2e7k h LEU 72 N 0.00 0.97 -0.66 4.31 8.10 -0.69 -2.80 115.31 124.55 2e7k h LEU 72 Ca -0.36 -0.16 -0.06 0.00 0.11 0.00 0.00 57.88 57.41 2e7k h LEU 72 Cb 2.08 -0.25 -0.03 0.00 -0.44 0.00 0.00 40.66 42.02 2e7k h LEU 72 CO 0.06 0.86 0.18 -0.07 -4.11 0.00 0.00 178.44 175.37 2e7k h LEU 73 N 1.02 0.98 -1.47 0.17 3.38 -1.69 -2.73 115.31 114.97 2e7k h LEU 73 Ca 0.24 -0.22 0.42 0.00 0.09 0.00 0.00 57.88 58.41 2e7k h LEU 73 Cb 0.18 -0.26 -0.12 0.00 0.09 0.00 0.00 40.66 40.56 2e7k h LEU 73 CO -0.02 0.94 0.87 -0.09 0.09 0.00 0.00 178.44 180.22 2e7k h ARG 74 N 0.96 0.11 -1.10 1.13 2.43 -1.62 0.79 114.38 117.08 2e7k h ARG 74 Ca 0.21 -0.01 -0.63 0.00 -0.81 0.00 0.00 59.98 58.75 2e7k h ARG 74 Cb 0.33 -0.02 -0.36 0.00 -0.42 0.00 0.00 29.97 29.49 2e7k h ARG 74 CO -0.00 0.07 -0.01 0.09 -1.51 0.00 0.00 179.97 178.61 2e7k n ASN 75 N -4.61 6.14 -3.79 -3.80 3.02 -1.03 -2.79 115.26 108.41 2e7k n ASN 75 Ca 0.36 -3.77 -0.28 0.00 -0.03 0.00 0.00 54.58 50.85 2e7k n ASN 75 Cb 1.40 -0.66 -0.12 0.00 -0.61 0.00 0.00 39.78 39.79 2e7k n ASN 75 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2e7k s ALA 76 N -3.73 3.04 0.99 5.41 0.00 0.27 -5.04 121.76 122.71 2e7k s ALA 76 Ca 0.55 -3.30 -0.09 0.00 0.00 0.00 0.00 51.96 49.12 2e7k s ALA 76 Cb 0.45 -2.02 0.13 0.00 0.00 0.00 0.00 23.12 21.67 2e7k s ALA 76 CO -0.07 -2.06 0.75 0.45 0.00 0.00 0.00 175.76 174.83 2e7k n SER 77 N 2.57 0.08 -0.55 0.00 2.88 -1.26 -4.78 113.62 112.56 2e7k n SER 77 Ca 0.17 -1.28 0.00 0.00 -1.33 0.00 0.00 58.87 56.43 2e7k n SER 77 Cb 0.37 -0.57 0.00 0.00 -0.75 0.00 0.00 64.21 63.26 2e7k n SER 77 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2e7k n GLY 78 N 0.09 -0.89 3.55 0.46 0.00 -1.26 -4.43 105.19 102.71 2e7k n GLY 78 Ca 0.09 -1.08 -0.38 0.00 0.00 0.00 0.00 46.02 44.66 2e7k n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2e7k s SER 79 N -4.00 5.60 -0.15 1.61 1.04 -1.26 -4.21 113.70 112.34 2e7k s SER 79 Ca 0.00 -0.18 -0.22 0.00 0.48 0.00 0.00 55.95 56.03 2e7k s SER 79 Cb 0.00 -2.55 -0.03 0.00 0.10 0.00 0.00 66.02 63.55 2e7k s SER 79 CO 0.00 -2.21 0.68 -0.69 0.98 0.00 0.00 173.24 172.00 2e7k s VAL 80 N 7.94 5.01 -0.11 5.02 1.01 -0.76 -4.86 120.40 133.65 2e7k s VAL 80 Ca 0.57 1.33 -0.05 0.00 0.00 0.00 0.00 61.98 63.83 2e7k s VAL 80 Cb -0.09 -4.00 -0.04 0.00 0.00 0.00 0.00 36.38 32.25 2e7k s VAL 80 CO 0.13 0.14 0.08 -0.63 0.00 0.00 0.00 175.10 174.83 2e7k s ILE 81 N 1.60 5.02 -0.17 2.22 1.09 -1.26 -1.76 121.20 127.93 2e7k s ILE 81 Ca 0.33 0.02 0.00 0.00 -1.10 0.00 0.00 60.65 59.90 2e7k s ILE 81 Cb -0.16 -3.16 0.04 0.00 -1.06 0.00 0.00 42.46 38.11 2e7k s ILE 81 CO 0.13 0.61 -0.09 -0.76 -0.10 0.00 0.00 174.94 174.72 2e7k s LEU 82 N -0.90 1.90 -0.50 2.97 1.43 -0.83 -2.97 118.68 119.77 2e7k s LEU 82 Ca 0.14 -0.72 -0.25 0.00 -1.03 0.00 0.00 54.13 52.28 2e7k s LEU 82 Cb -0.12 -1.10 0.03 0.00 0.03 0.00 0.00 46.19 45.04 2e7k s LEU 82 CO 0.03 -0.14 0.91 -0.75 0.23 0.00 0.00 176.35 176.63 2e7k s LYS 83 N 1.51 3.43 0.23 1.70 2.20 -0.76 -2.61 119.74 125.42 2e7k s LYS 83 Ca 0.01 -0.06 0.06 0.00 -0.36 0.00 0.00 55.97 55.62 2e7k s LYS 83 Cb -0.15 -3.98 -0.04 0.00 -1.51 0.00 0.00 37.83 32.15 2e7k s LYS 83 CO -0.08 -1.32 0.19 0.42 -0.36 0.00 0.00 175.35 174.20 2e7k s ILE 84 N 3.77 4.53 -0.07 5.43 -1.09 -0.50 -1.47 121.20 131.81 2e7k s ILE 84 Ca 0.33 -1.27 -0.09 0.00 -2.23 0.00 0.00 60.65 57.38 2e7k s ILE 84 Cb -0.11 -3.41 0.02 0.00 -1.58 0.00 0.00 42.46 37.37 2e7k s ILE 84 CO 0.23 -0.28 0.25 -0.76 -1.23 0.00 0.00 174.94 173.14 2e7k s LEU 85 N -3.64 1.08 0.69 2.97 1.02 0.12 -0.42 118.68 120.50 2e7k s LEU 85 Ca 0.32 0.36 -0.15 0.00 0.02 0.00 0.00 54.13 54.68 2e7k s LEU 85 Cb -0.09 0.90 0.02 0.00 0.02 0.00 0.00 46.19 47.04 2e7k s LEU 85 CO 0.25 -0.17 1.16 -0.44 0.02 0.00 0.00 176.35 177.16 2e7k s SER 86 N -0.26 4.66 0.00 2.29 0.01 -1.26 -3.08 113.70 116.06 2e7k s SER 86 Ca -0.04 2.18 0.00 0.00 1.31 0.00 0.00 55.95 59.40 2e7k s SER 86 Cb -0.03 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.63 2e7k s SER 86 CO 0.01 -1.94 0.00 0.61 0.41 0.00 0.00 173.24 172.33 2e7k n GLY 87 N -0.05 5.32 3.77 3.44 0.00 -1.26 -4.93 105.19 111.48 2e7k n GLY 87 Ca 0.12 -1.40 -0.36 0.00 0.00 0.00 0.00 46.02 44.38 2e7k n GLY 87 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2e7k s PRO 88 N 1.17 3.54 -0.11 1.61 0.04 -1.26 -4.91 135.00 135.07 2e7k s PRO 88 Ca 0.00 1.69 -0.36 0.00 0.04 0.00 0.00 61.00 62.37 2e7k s PRO 88 Cb 0.00 -2.19 -0.13 0.00 0.04 0.00 0.00 34.50 32.22 2e7k s PRO 88 CO 0.00 -0.71 1.78 -1.13 0.04 0.00 0.00 177.00 176.98 2e7k n SER 89 N -0.93 2.99 -3.88 6.66 3.41 -1.26 -4.96 113.62 115.65 2e7k n SER 89 Ca 0.10 1.02 -0.27 0.00 -0.26 0.00 0.00 58.87 59.46 2e7k n SER 89 Cb 0.50 -1.30 -0.17 0.00 -0.26 0.00 0.00 64.21 62.98 2e7k n SER 89 CO 0.00 0.00 0.00 -0.55 -0.16 0.00 0.00 175.04 174.33 2e7k s SER 90 N 3.40 2.25 0.00 4.04 0.15 -1.26 -5.25 113.70 117.03 2e7k s SER 90 Ca 0.93 -0.36 0.00 0.00 0.70 0.00 0.00 55.95 57.22 2e7k s SER 90 Cb -0.82 -0.81 0.00 0.00 -1.71 0.00 0.00 66.02 62.68 2e7k s SER 90 CO 0.54 -0.14 0.00 0.61 1.20 0.00 0.00 173.24 175.45